3F81
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![BU of 3f81 by Molmil](/molmil-images/mine/3f81) | Interaction of VHR with SA3 | Descriptor: | 2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, Dual specificity protein phosphatase 3 | Authors: | Wu, S, Mutelin, T, Tautz, L. | Deposit date: | 2008-11-11 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multidentate small-molecule inhibitors of vaccinia H1-related (VHR) phosphatase decrease proliferation of cervix cancer cells. J.Med.Chem., 52, 2009
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8TK2
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![BU of 8tk2 by Molmil](/molmil-images/mine/8tk2) | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3, ... | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | Deposit date: | 2023-07-25 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) binding 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid To Be Published
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8TK3
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![BU of 8tk3 by Molmil](/molmil-images/mine/8tk3) | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites | Descriptor: | 6-(difluoromethyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3 | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | Deposit date: | 2023-07-25 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites To Be Published
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8TK4
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![BU of 8tk4 by Molmil](/molmil-images/mine/8tk4) | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with phosphate | Descriptor: | Dual specificity protein phosphatase 3, PHOSPHATE ION | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | Deposit date: | 2023-07-25 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with phosphate To Be Published
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8TK5
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![BU of 8tk5 by Molmil](/molmil-images/mine/8tk5) | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with HEPES | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | Deposit date: | 2023-07-25 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment Screening Platform and Discovery of Novel Fragment Binders of the VHR Phosphatase, a Drug Target for Sepsis and Septic Shock To Be Published
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8TK6
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![BU of 8tk6 by Molmil](/molmil-images/mine/8tk6) | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) in apo form | Descriptor: | Dual specificity protein phosphatase 3 | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | Deposit date: | 2023-07-25 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fragment Screening Platform and Discovery of Novel Fragment Binders of the VHR Phosphatase, a Drug Target for Sepsis and Septic Shock To Be Published
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2F46
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![BU of 2f46 by Molmil](/molmil-images/mine/2f46) | |
6YID
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![BU of 6yid by Molmil](/molmil-images/mine/6yid) | Crystal structure of ULK2 in complex with SBI-0206965 | Descriptor: | 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid, Serine/threonine-protein kinase ULK2 | Authors: | Chaikuad, A, Ren, H, Bakas, N.A, Lambert, L.J, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-01 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, and Characterization of an Orally Active Dual-Specific ULK1/2 Autophagy Inhibitor that Synergizes with the PARP Inhibitor Olaparib for the Treatment of Triple-Negative Breast Cancer. J.Med.Chem., 63, 2020
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1ZC0
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![BU of 1zc0 by Molmil](/molmil-images/mine/1zc0) | |
3O4S
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![BU of 3o4s by Molmil](/molmil-images/mine/3o4s) | |
3O4T
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![BU of 3o4t by Molmil](/molmil-images/mine/3o4t) | |
3O4U
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![BU of 3o4u by Molmil](/molmil-images/mine/3o4u) | Crystal Structure of HePTP with an Atypically Open WPD Loop | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, S,R MESO-TARTARIC ACID, ... | Authors: | Critton, D.A, Page, R. | Deposit date: | 2010-07-27 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Visualizing active-site dynamics in single crystals of HePTP: opening of the WPD loop involves coordinated movement of the E loop. J.Mol.Biol., 405, 2011
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